Geometry & MOs

Info

ID:	306244
PubChem CID:	125003309
Reduced:	FON5H22C24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	415.180839
ΔH_f, kcal/mol:	36.16
Dipole, Da:	4.51
IP(EA), eV:	-8.66(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoropyridin-2-yl)-6-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

C1CO[C@H](CN1CC2=CC3=C(C=C2)N=CC=C3)C4=NC=C(C=C4)NC5=NC=C(C=C5)F

DOS

IR

Vibrations